(3-bromophenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate

Systemtic Name: (3-bromophenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (3-bromophenyl) 5-chloro-2-(m-tolylmethylsulfonyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carboxylic acid (3-bromophenyl) ester Formula: C19H14BrClN2O4S MolecularWeight: 481.74746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)OC3=CC(=CC=C3)Br)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)OC3=CC(=CC=C3)Br)Cl

InChI

InChI=1S/C19H14BrClN2O4S/c1-12-4-2-5-13(8-12)11-28(25,26)19-22-10-16(21)17(23-19)18(24)27-15-7-3-6-14(20)9-15/h2-10H,11H2,1H3